Home Carboxys methyl 3-(hydroxymethyl)-1-methyl-1H-pyrazole-5-carboxylate

methyl 3-(hydroxymethyl)-1-methyl-1H-pyrazole-5-carboxylate

CAS No.:
1208081-25-7
Catalog Number:
AG01DV2F
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
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Product Description
Catalog Number:
AG01DV2F
Chemical Name:
methyl 3-(hydroxymethyl)-1-methyl-1H-pyrazole-5-carboxylate
CAS Number:
1208081-25-7
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
MDL Number:
MFCD10568327
IUPAC Name:
methyl 5-(hydroxymethyl)-2-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C7H10N2O3/c1-9-6(7(11)12-2)3-5(4-10)8-9/h3,10H,4H2,1-2H3
InChI Key:
MZHNDLRCKWKTSU-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1C(=O)OC)CO
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties